COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL442183
Chemical Name: 3-[2-(4-bromophenyl)-2-oxoethyl]-4-(ethoxycarbonyl)-1-{[(E)-(4-methoxyphenyl)methylidene]amino}-1H-1,2,3-triazol-3-ium-5-olate
Smiles: CCOC(=O)c1[n+](nn(c1[O-])/N=C/c1ccc(cc1)OC)CC(=O)c1ccc(cc1)Br

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Molecular Weight: 487.31
Empirical Formula: C21H19BrN4O5

Physical State: Dry powder
Available Amount: 298 mg

Lipinsky:
logP: 0
Rotatable bonds: 6
H-donors: 0
H-acceptors: 5
PSA: 109
Number of rings: 3

     

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